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Molecule
Perfluorodecalin
CAS: 306-94-5 · C10F18
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 306-94-5
- Molecular Formula
- C10F18
- Molecular Mass
- 462.07 g/mol
Identifiers
CAS Registry Number
306-94-5
SMILES
FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F
InChI Key
UWEYRJFJVCLAGH-UHFFFAOYSA-N
InChI
InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16
Names and Synonyms
- Perfluorodecalin Synonym
- Naphthalene, 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluorodecahydro- Synonym
- Naphthalene, octadecafluorodecahydro- Synonym
- 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-Octadecafluorodecahydronaphthalene Synonym
- Perfluorodecahydronaphthalene Synonym
- Perfluorodecalin Synonym
- Flutec PP 5 Synonym
- Octadecafluorodecahydronaphthalene Synonym
- PP 5 Synonym
- FDC Synonym
- Flutec PP 7 Synonym
- Octadecafluorodecalin Synonym
- Decalin perfluoride Synonym
- Perflunafene Synonym
- Flutec PP 6 Synonym
- APF 140 Synonym
- NSC 97066 Synonym
- PP 6 Synonym
- 1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-Octadecafluoronaphthalene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 462.07 g/mol | CAS Common Chemistry |
| 462.07399999999996 g/mol | RDKit | |
| 462.074 g/mol | RDKit | |
| Density | 1.95 g/cm³ | CAS Common Chemistry |
| 1.9456 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluorodecalin | CAS Common Chemistry |
| Boiling Point | 142 °C | CAS Common Chemistry |
| Canonical SMILES | FC1(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C10F18/c11-1-2(12,5(17,18)9(25,26)7(21,22)3(1,13)14)6(19,20)10(27,28)8(23,24)4(1,15)16 | CAS Common Chemistry |
| InChI Key | InChIKey=UWEYRJFJVCLAGH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -10 °C | CAS Common Chemistry |
| Name | Perfluorodecalin | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.512600000000003 | RDKit |
| 5.5126 | RDKit | |
| Molar Refractivity | 47.25399999999999 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 461.97125796 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 462.07 g/mol; density = 1.950 g/mL. Edit any field — others recompute live.
